1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide

C14H7F12NO — CID 3457298

IUPAC1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H7F12NO/c15-7-3-1-6(2-4-7)5-27-8(28)9(16)10(17,18)12(21,22)14(25,26)13(23,24)11(9,19)20/h1-4H,5H2,(H,27,28)
InChIKeyISLDVTLZUNBUJG-UHFFFAOYSA-N
MW433.19 g/mol
LogP4.34
Rot. Bonds3

About 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 3457298) has the molecular formula C14H7F12NO and a molecular weight of 433.19 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
PubChem CID3457298
Molecular FormulaC14H7F12NO
Molecular Weight433.19 g/mol
Exact Mass433.03
IUPAC Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H7F12NO/c15-7-3-1-6(2-4-7)5-27-8(28)9(16)10(17,18)12(21,22)14(25,26)13(23,24)11(9,19)20/h1-4H,5H2,(H,27,28)
InChIKeyISLDVTLZUNBUJG-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.19
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
1-tert-butyl-3-[(4-fluorophenyl)methyl]urea
CID 59397344
(E)-4-[(4-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 711811
1-[(4-fluorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097119
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80592729
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
3-[(4-fluorophenyl)methylcarbamoyl]oxetane-3-carboxylic acid
CID 115184975
2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide
CID 43146267

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide (CID 3457298) is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide is O=C(NCc1ccc(F)cc1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is ISLDVTLZUNBUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F12NO/c15-7-3-1-6(2-4-7)5-27-8(28)9(16)10(17,18)12(21,22)14(25,26)13(23,24)11(9,19)20/h1-4H,5H2,(H,27,28).
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide?
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 433.19 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 3457298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).